Dear LAMMPS users,

I’m trying to compute thermal conductivity using Compute Heat/flux command and correlate.py from manual.

Thermal conductivity is calculated using this eq.

(thermal conductivity)

= (result from correlate.py) * (time step) / (volume) / (Boltzmann constant) / (temperature)^2 * (unit conversion factor)

But the thermal conductivity result is exactly linear to the time step. (0.2fs~2fs)

I don’t know where is my mistake.

Here is my script. Thanks.